CAS 52574-27-3 Carbobenzyloxytryptophylserine methyl ester (HCID 12821032)

기본 정보

CAS: 52574-27-3
표준 SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
InChIKey: ILWXFCVXVYSLSZ-PMACEKPBSA-N
분자식: C23H25N3O6
평균 분자량: 439.5 g/mol

이름 및 식별자

우선 이름: Carbobenzyloxytryptophylserine methyl ester
IUPAC: methyl (2S)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

이름 및 동의어

52574-27-3carbobenzyloxytryptophylserine methyl esterRefChem:574266667-952-2(S)-Methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanoateZ-Trp-Ser-OMeSCHEMBL11330243ILWXFCVXVYSLSZ-PMACEKPBSA-Nmethyl (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoateNalpha -Benzyloxycarbonyl-L-tryptophyl-L-serine methyl ester

데이터베이스 식별자

CAS: 52574-27-3
PubChem CID: 12821032
EC Number: 667-952-2

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 130 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 11
무거운 원자 수: 32
형식 전하: 0
복잡도: 639

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.